Re: Experimental ion-neutral interaction energies
- From: Gustavo Mercier <mercie-0at0-med.cornell.edu>
- Subject: Re: Experimental ion-neutral interaction energies
- Date: Fri, 10 Sep 1993 13:13:44 -0400 (EDT)
On Thu, 9 Sep 1993 uchjs-0at0-earth.oscs.montana.edu wrote:
>
> Hi netters,
>
> Question: Are there any computational chemists out there with an
> interest in obtaining experimental, gas-phase interaction energies
> between ions and neutrals for new systems such as peptides? Any
> input would be appreciated.
>
>
This kind of data is crucial for individuals applying advanced Quantum
Mechanical Computations (i.e. GVB, MCSCF, DFT etc) to larger system.
I am particularly interested in the interaction with Metalloporphyrins
cations and H2O, but any simpler model system would also be of interest!
gus mercier
mercie-0at0-cumc.cornell.edu